SCHEMBL440417

SCHEMBL440417

Cc1ncsc1C(=O)Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 1/20 0.42
CHEK2 O96017 1/20 0.39
KMT2A Q03164 2/20 0.38
HDAC2 Q92769 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
DEGS1 O15121 1/20 0.36
TRPM4 Q8TD43 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
F10 P00742 1/20 0.36
NTRK1 P04629 1/20 0.35
ABL1 P00519 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5531238 0.87 POLB (0.45) NPC1RAB9APKMCHEK2HDAC2
SCHEMBL8238342 0.86 RAB9A (0.46) NAMPTNPC1RAB9APKMKMT2A
SCHEMBL14641822 0.82 NAMPT (0.42) NAMPTNPC1RAB9APKMKMT2A
SCHEMBL2815050 0.82 ABCB1 (0.42) NPC1RAB9APKMCHEK2KMT2A
SCHEMBL2812391 0.81 RAB9A (0.41) NAMPTNPC1RAB9APKMKMT2A
SCHEMBL451402 0.81 NTRK1 (0.38) NPC1RAB9APKMCHEK2KMT2A
SCHEMBL438956 0.79 STIM1 (0.50) NPC1RAB9APKMKDM4EABL1
SCHEMBL2813073 0.79 IL2 (0.47) NPC1RAB9APKMKMT2AHDAC2
SCHEMBL437854 0.79 GSK3B (0.39) CHEK2HDAC2DEGS1SMN1; SMN2
SCHEMBL437873 0.78 SMN1; SMN2 (0.55) NPC1RAB9AKMT2AHDAC2DEGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US claimed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP claimed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO claimed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (MA) 2012-03-15 US disclosed
EP-2182808-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-12 EP disclosed
WO-2009017819-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120064121-A1 PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR3, TSLP NAMPT 225/4885NPC1 3448/4885RAB9A 3196/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.